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    Atomic structure of alloy surfaces. II. Ni3Al{111}

    D. Sondericker and F. Jona

    P. M. Marcus

    • College of Engineering and Applied Science, State University of New York at Stony Brook, Stony Brook, New York 11794-2275

    • IBM Thomas J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598

    Phys. Rev. B 34, 6770 – Published 15 November, 1986

    DOI: https://doi.org/10.1103/PhysRevB.34.6770

    Abstract

    A low-energy-electron-diffraction intensity analysis of a clean Ni3Al{111} surface reveals a structure that is essentially bulklike, but with a slight buckling of the first atomic layer. The plane of the Al atoms is moved outwards to a position 0.06±0.03 Å from the plane of the Ni atoms, which is in turn very slightly shifted inward (0.01±0.03 Å) toward the second atomic layer. Second and deeper interlayer spacings are expected to be equal to the bulk value (2.055 Å). The r-factor values for both normal (0.13) and oblique (0.16) incidence correspond to a very good fit of theory to experiment.

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